7-[(3,4-dichlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-dichlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-dichlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0441 |
| Compound Name: | 7-[(3,4-dichlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 434.28 |
| Molecular Formula: | C19 H17 Cl2 N5 O3 |
| Smiles: | CN1C(c2c(nc(NCc3ccco3)n2Cc2ccc(c(c2)[Cl])[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6325 |
| logD: | 4.6322 |
| logSw: | -4.7284 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.595 |
| InChI Key: | NSMLNNXMCANTSI-UHFFFAOYSA-N |